2-oxidanylidene-3-[(4-phenoxyphenyl)methyl]pentanoic acid

Systemtic Name: 2-oxidanylidene-3-[(4-phenoxyphenyl)methyl]pentanoic acid Openeye Name: 2-oxo-3-[(4-phenoxyphenyl)methyl]pentanoic acid CAS Name: 2-oxo-3-[(4-phenoxyphenyl)methyl]pentanoic acid IUPAC Name: 2-oxo-3-[(4-phenoxyphenyl)methyl]pentanoic acid Traditional Name: 2-keto-3-(4-phenoxybenzyl)valeric acid Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C(=O)O

Isomeric SMILES

CCC(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C(=O)O

InChI

InChI=1S/C18H18O4/c1-2-14(17(19)18(20)21)12-13-8-10-16(11-9-13)22-15-6-4-3-5-7-15/h3-11,14H,2,12H2,1H3,(H,20,21)